(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione

C18H13Cl2NO2S — CID 18836936

IUPAC(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H13Cl2NO2S/c1-2-11-5-3-4-6-15(11)21-17(22)16(24-18(21)23)9-12-7-8-13(19)10-14(12)20/h3-10H,2H2,1H3/b16-9-
InChIKeyWKBFTNZOANLFLU-SXGWCWSVSA-N
MW378.28 g/mol
LogP5.80
Rot. Bonds3

About (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18836936) has the molecular formula C18H13Cl2NO2S and a molecular weight of 378.28 g/mol. Its IUPAC name is (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
PubChem CID18836936
Molecular FormulaC18H13Cl2NO2S
Molecular Weight378.28 g/mol
Exact Mass377.00
IUPAC Name(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
SMILESCCc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C18H13Cl2NO2S/c1-2-11-5-3-4-6-15(11)21-17(22)16(24-18(21)23)9-12-7-8-13(19)10-14(12)20/h3-10H,2H2,1H3/b16-9-
InChIKeyWKBFTNZOANLFLU-SXGWCWSVSA-N
XLogP5.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(4-chlorophenyl)-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840531
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836896
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(2-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 7559354
(5Z)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836899
(5E)-3-[(2,4-dichlorophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 124664513
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 18841127
(5Z)-3-(2-ethylphenyl)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836957
(5Z)-3-(2-ethylphenyl)-5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18836954
5-[(2,4-dichlorophenyl)methylidene]-3-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4048302
(5Z)-3-butyl-5-[(2,4-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145727
(5Z)-3-(2-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126063558
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
CID 11754368

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione (CID 18836936) is (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione is CCc1ccccc1N1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is WKBFTNZOANLFLU-SXGWCWSVSA-N. The full InChI is InChI=1S/C18H13Cl2NO2S/c1-2-11-5-3-4-6-15(11)21-17(22)16(24-18(21)23)9-12-7-8-13(19)10-14(12)20/h3-10H,2H2,1H3/b16-9-.
What are the key properties of (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 378.28 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).